Information card for entry 4071103

Structure parameters

• Formula: C46.4 H52.5 Br0.67 Cl0.33 N2 O3.35 Pd
• Calculated formula: C46.4 H52.5 Br0.67 Cl0.33 N2 O3.35 Pd
• Title of publication: Synthesis, Structure, and Catalytic Performance of Diastereopure Five-Coordinated NCN-Pincer Palladium(II) Complexes Bearing Bulky Amino Acid Substituents
• Authors of publication: Gosiewska, Silvia; Martinez Herreras, Sara; Lutz, Martin; Spek, Anthony L.; Havenith, Remco W. A.; van Klink, Gerard P. M.; van Koten, Gerard; Gebbink, Robertus J. M. Klein
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 11
• Pages of publication: 2549
• a: 17.0116 ± 0.0001 Å
• b: 23.8755 ± 0.0002 Å
• c: 9.9206 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4029.36 ± 0.06 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No